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Geometric
Terms modified by Geometric Selected AbstractsRight Ventricular Function Assessment: Comparison of Geometric and Visual Method to Short-Axis Slice Summation MethodECHOCARDIOGRAPHY, Issue 10 2007Daniel Drake M.D. Background: Short-axis summation (SAS) method applied for right ventricular (RV) volumes and right ventricular ejection fraction (RVEF) measurement with cardiac MRI is time consuming and cumbersome to use. A simplified RVEF measurement is desirable. We compare two such methods, a simplified ellipsoid geometric method (GM) and visual estimate, to the SAS method to determine their accuracy and reproducibility. Methods: Forty patients undergoing cine cardiac MRI scan were enrolled. The images acquired were analyzed by the SAS method, the GM (area and length measurement from two orthogonal planes) and visual estimate. RVEF was calculated using all three methods and RV volumes using the SAS and GM. Bland,Altman analysis was applied to test the agreement between the various measurements. Results: Mean RVEF was 49 ± 12% measured by SAS method, 54 ± 12% by the GM, and 49 ± 11% by visual estimate. There were similar bias and limits of agreement between the visual estimate and the GM compared to SAS. The interobserver variability showed a bias close to zero with limits of agreement within ±10% absolute increments of RVEF in 35 of the patients. The RV end-diastolic volume by GM showed wider limits of agreement. The RV end-systolic volume by GM was underestimated by around 10 ml compared to SAS. Conclusion: Both the visual estimate and the GM had similar bias and limits of agreement when compared to SAS. Though the end-systolic measurement is somewhat underestimated, the geometric method may be useful for serial volume measurements. [source] Copulas and Temporal DependenceECONOMETRICA, Issue 1 2010Brendan K. Beare An emerging literature in time series econometrics concerns the modeling of potentially nonlinear temporal dependence in stationary Markov chains using copula functions. We obtain sufficient conditions for a geometric rate of mixing in models of this kind. Geometric , -mixing is established under a rather strong sufficient condition that rules out asymmetry and tail dependence in the copula function. Geometric , -mixing is obtained under a weaker condition that permits both asymmetry and tail dependence. We verify one or both of these conditions for a range of parametric copula functions that are popular in applied work. [source] Preparation, Geometric and Electronic Structures of [Bi2Cu4(SPh)8(PPh3)4] with a Bi2 Dumbbell, [Bi4Ag3(SePh)6Cl3(PPh3)3]2 and [Bi4Ag3(SePh)6X3(PPhiPr2)3]2 (X = Cl, Br) with a Bi4 UnitEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 32 2008Heino Sommer Abstract BiBr3 and CuCl react with S(Ph)SiMe3 in thf solution in the presence of PPh3 to yield [BiCu2(SPh)3Br2(PPh3)3] (1). The reaction of 1 with 2 equiv. of NaSPh gives rise to [Bi2Cu4(SPh)8(PPh3)4] (2) containing a Bi2 dumbbell. In this paper we further report the synthesis and characterization of the new cluster complexes [Bi4Ag3(SePh)6Cl3(PPh3)3]2 (3) and[Bi4Ag3(SePh)6X3(PPhiPr2)3]2 [X = Cl (4), Br (5)]. In the surprisingly formed species 3,5 a formal charged Bi46+ unit is observed. Compounds 3,5 were prepared by the reaction of BiX3 (X = Cl, Br), AgStBu, Se(Ph)SiMe3 and phosphane (PPh3, PPhiPr2). The structures of the compounds were determined by single-crystal X-ray analysis. Additionally, theoretical investigations were preformed to rationalize the bonding situation in 2,5. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008) [source] Modeling Electron and Hole Transport in Fluoroarene-Oligothiopene Semiconductors: Investigation of Geometric and Electronic Structure Properties,ADVANCED FUNCTIONAL MATERIALS, Issue 2 2008E. Koh Abstract A theoretical study using density functional theory is undertaken to gain insight into how the structural, electronic, and electron-transfer characteristics of three Fluoroarene-oligothiophene semiconductors influence the preferred transport of electrons versus holes in field-effect transistor applications. The intermolecular electronic coupling interactions are analyzed through both a simplified energy-splitting in dimer (ESID) model and as a function of the entire dimer Hamiltonian in order to understand the impact of site energy differences; our results indicate that these differences are generally negligible for the series and, hence, use of the ESID model is valid. In addition, we also investigate the reduction and oxidation processes to understand the magnitudes of the intramolecular reorganization energy for the charge-hopping process and expected barrier heights for electron and hole injection into these materials. From the electronic coupling and intramolecular reorganization energies, estimates of the nearest-neighbor electron-transfer hopping rate constant for electrons are obtained. The ionization energetics suggest favored electron injection for the system with perfluoroarene groups at the end of the thiophene core, in agreement with experiments. The combined analyses of the electron-transfer properties and ionization processes suggest possible ambipolar behavior for these materials under favorable device conditions. [source] Analytical formulas for the geometric and inertia quantities of the largest removable blocks around tunnelsINTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS, Issue 11 2007Fulvio Tonon Abstract This paper presents algorithms for determining the vertices of the maximum removable block (MB) created by a joint pyramid (JP) around a tunnel when discontinuities are fully persistent. It is shown that an MB cannot be formed by more than 4 discontinuities and this drastically limits the proliferation of rock blocks that need to be analysed. The non-convex block obtained after the MB is tunnelled through (real maximum block, RMB) is partitioned into a set of tetrahedra, and procedures are given for determining the vertices of these tetrahedra. Geometric and inertia quantities needed for stability analysis and support/reinforcement design are determined as functions of the calculated vertices' co-ordinates. These quantities are: RMB's volume, face areas, perimeter of the excavated surface, centroid and inertia tensor. The algorithms for their calculation are at least two times faster than other algorithms previously proposed in other applications. It is shown that the formulations presented by Goodman and Shi for translational analysis and by Tonon for rotatability analysis can be used to analyse the RMBs using the geometric quantities presented. A numerical example is presented among those used to verify these analytical procedures and their implementation. Copyright © 2006 John Wiley & Sons, Ltd. [source] Multimaterial Photodetecting Fibers: a Geometric and Structural Study,ADVANCED MATERIALS, Issue 22 2007F. Sorin We report in this communication on structure property relations, specifically focusing on geometric scaling and its effect on the performance of one dimensional distributed photodetecting fibers. Envisioned applications include large area optoelectronic systems, remote sensing and multifunctional fabrics. [source] Surface segregation in bimetallic nanoclusters: Geometric and thermodynamic effectsINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 4-5 2001Daniela S. Mainardi Abstract Nanocluster morphology (size, crystallographic faces, surface defects), coupled to thermodynamic driving forces, influence surface segregation phenomena. These geometric and thermodynamic effects are studied at several temperatures and overall compositions for Cu,Ni, Ag,Cu, and Ag,Rh. The bond order metal simulation model [Zhu, L.; DePristo, A. E. J Catal 1997, 167, 400] is used in Monte Carlo simulations to describe interatomic interactions. Nanoclusters from 110 to 729 atoms are arranged on stacks of layers corresponding to face-centered cubic crystals. The exposed surfaces are (111), (110), and (331) faces, and the overall composition of the clusters defined in terms of the segregating atoms ranges from 5 to 95%. The effect of surface steps on surface segregation is also investigated. It is found that as overall concentration increases, the effect of surface defects on segregation phenomena becomes more pronounced. The increase in the number of low coordination sites due to the presence of surface steps modifies the layer-by-layer composition profile, causing surface and inner sites in the proximity of the step to become occupied by the segregating atoms. The population on other surfaces becomes depleted, resulting in a lowered total surface segregation. These effects are more noticeable not only at high overall composition but also at high temperatures, especially for the less segregating system, Ag,Cu. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001 [source] Towards the best model for H atoms in experimental charge-density refinementACTA CRYSTALLOGRAPHICA SECTION A, Issue 4 2009Anna A. Hoser The consequences of different treatments of H atoms in experimental charge-density studies are discussed. Geometric and topological parameters obtained after applying four different H-atom models in multipolar refinement on high-resolution X-ray data only were compared with the results obtained for a reference joint high-resolution X-ray/neutron refinement. The geometry and the topological critical point and integrated parameters closest to the reference values were obtained after a mixed refinement (high-order refinement of heavy atoms, low-angle refinement of H atoms and elongation of the X,H distance to the average neutron bond lengths) supplemented by an estimation of the anisotropic thermal motions of H atoms using the SHADE program. Such a procedure works very well even for strong hydrogen bonds. The worst fit to the reference results for both critical point and integrated parameters was obtained when only the standardization to the average neutron X,H distances was applied. The non-H-atom parameters are also systematically influenced by the H-atom modeling. In order to compare topological and integrated properties calculated for H and non-H atoms in multipolar refinement when there are no neutron data, the same treatment of H atoms (ideally the mixed refinement + estimated anisotropic atomic displacement parameters for H atoms) should be applied. [source] Designing Accurate Control Charts Based on the Geometric and Negative Binomial DistributionsQUALITY AND RELIABILITY ENGINEERING INTERNATIONAL, Issue 8 2005Neil C. Schwertman Abstract Attribute control charts are used effectively to monitor for process change. Their accuracy can be improved by judiciously selecting the sample size. The required sample sizes to achieve accuracy can be quite restrictive, especially when the nominal proportions of non-conforming units are quite small. The usual attribute control chart has a set sample size and the number of non-conforming units in the sample is plotted. If, instead of setting a specific sample size the number of non-conforming units is set, an alternative monitoring process is possible. Specifically, the cumulative count of conforming (CCC- r) control chart is a plot of the number of units that must be tested to find the rth non-conforming unit. These charts, based on the geometric and negative binomial distributions, are often suggested for monitoring very high quality processes. However, they can also be used very efficiently to monitor processes of lesser quality. This procedure has the potential to find process deterioration more quickly and efficiently. Xie et al. (Journal of Quality and Reliability Management 1999; 16(2):148,157) provided tables of control limits for CCC- r charts for but focused mainly on high-quality processes and the tables do not include any assessments of the risk of a false alarm or the reliability of detecting process change. In this paper, these tables are expanded for processes of lesser quality and include such assessments using the number of expected monitoring periods (average run lengths (ARLs)) to detect process change. Also included is an assessment of the risk of a false alarm, that is, a false indication of process deterioration. Such assessments were not included by Xie et al. but are essential for the quality engineer to make sound decisions. Furthermore, a hybrid of the control charts based on the binomial, geometric and negative binomial distributions is proposed to monitor for process change. Copyright © 2005 John Wiley & Sons, Ltd. [source] Geometric and Energetic Aspects of Aluminum Nitride Cages.CHEMINFORM, Issue 12 2003Hai-Shun Wu Abstract For Abstract see ChemInform Abstract in Full Text. [source] Stylized lighting for cartoon shaderCOMPUTER ANIMATION AND VIRTUAL WORLDS (PREV: JNL OF VISUALISATION & COMPUTER ANIMATION), Issue 2-3 2009Hideki Todo Abstract In the context of non-photorealistic imaging, such as digital cel animation, lighting is symbolic and stylized to depict the scene's mood and the geometric or physical features of the objects in the scene. Stylized light and shade should therefore be intentionally animated rather than rigorously simulated. However, it is difficult to achieve smooth animation of light and shade that are stylized with a user's intention, because such stylization cannot be achieved using just conventional 3D lighting. To address this problem, we propose a 3D stylized lighting method, focusing on several stylized effects including straight lighting, edge lighting, and detail lighting which are important features in hand-drawn cartoon animation. Our method is an extension of the conventional cartoon shader and introduces a light coordinate system for light shape control with smooth animations of light and shade. We also extend a toon mapping process for detailed feature lighting. Having these algorithms in a real-time cartoon shader, our prototype system allows the interactive creation of stylized lighting animations. We show several animation results obtained by our method to illustrate usefulness and effectiveness of our method. Copyright © 2009 John Wiley & Sons, Ltd. [source] Transferring the Rig and Animations from a Character to Different Face ModelsCOMPUTER GRAPHICS FORUM, Issue 8 2008Verónica Costa Orvalho I.3.7 Computer Graphics: Three-Dimensional Graphics and Realism. Animation Abstract We introduce a facial deformation system that allows artists to define and customize a facial rig and later apply the same rig to different face models. The method uses a set of landmarks that define specific facial features and deforms the rig anthropometrically. We find the correspondence of the main attributes of a source rig, transfer them to different three-demensional (3D) face models and automatically generate a sophisticated facial rig. The method is general and can be used with any type of rig configuration. We show how the landmarks, combined with other deformation methods, can adapt different influence objects (NURBS surfaces, polygon surfaces, lattice) and skeletons from a source rig to individual face models, allowing high quality geometric or physically-based animations. We describe how it is possible to deform the source facial rig, apply the same deformation parameters to different face models and obtain unique expressions. We enable reusing of existing animation scripts and show how shapes nicely mix one with the other in different face models. We describe how our method can easily be integrated in an animation pipeline. We end with the results of tests done with major film and game companies to show the strength of our proposal. [source] A Primer on Topological PersistenceCOMPUTER GRAPHICS FORUM, Issue 3 2006Herbert Edelsbrunner The idea of topological persistence is to look at homological features that persist along a nested sequence of topo-logical spaces. As a typical example, we may take the sequence of sublevel sets of a function. The combinatorial characterization of persistence in terms of pairs of critical values and fast algorithms computing these pairs make this idea practical and useful in dealing with the pervasive phenomenon of noise in geometric and visual data. This talk will 1. recall the relatively short history of persistence and some of its older roots; 2. introduce the concept intuitively while pointing out where algebra is needed to solidify the more difficult steps; 3. discuss a few applications to give a feeling of the potential of the method in dealing with noise and scale. Besides the initial concept, the talk will touch upon recent extensions and their motivation. [source] Structural and biophysical simulation of angiogenesis and vascular remodeling ,DEVELOPMENTAL DYNAMICS, Issue 4 2001Ralf Gödde Abstract The purpose of this report is to introduce a new computer model for the simulation of microvascular growth and remodeling into arteries and veins that imitates angiogenesis and blood flow in real vascular plexuses. A C++ computer program was developed based on geometric and biophysical initial and boundary conditions. Geometry was defined on a two-dimensional isometric grid by using defined sources and drains and elementary bifurcations that were able to proliferate or to regress under the influence of random and deterministic processes. Biophysics was defined by pressure, flow, and velocity distributions in the network by using the nodal-admittance-matrix-method, and accounting for hemodynamic peculiarities like Fahraeus-Lindqvist effect and exchange with extravascular tissue. The proposed model is the first to simulate interdigitation between the terminal branches of arterial and venous trees. This was achieved by inclusion of vessel regression and anastomosis in the capillary plexus and by remodeling in dependence from hemodynamics. The choice of regulatory properties influences the resulting vascular patterns. The model predicts interdigitating arteriovenous patterning if shear stress-dependent but not pressure-dependent remodeling was applied. By approximating the variability of natural vascular patterns, we hope to better understand homogeneity of transport, spatial distribution of hemodynamic properties and biomass allocation to the vascular wall or blood during development, or during evolution of circulatory systems. © 2001 Wiley-Liss, Inc. [source] Reorientation by geometric and landmark information in environments of different sizeDEVELOPMENTAL SCIENCE, Issue 5 2005Giorgio Vallortigara It has been found that disoriented children could use geometric information in combination with landmark information to reorient themselves in large but not in small experimental spaces. We tested domestic chicks in the same task and found that they were able to conjoin geometric and nongeometric (landmark) information to reorient themselves in both the large and the small space used. Moreover, chicks reoriented immediately when displaced from a large to a small experimental space and vice versa, suggesting that they used the relative metrics of the environment. However, when tested with a transformation (affine transformation) that alters the geometric relations between the target and the shape of the environment, chicks tended to make more errors based on geometric information when tested in the small than in the large space. These findings suggest that the reliance of the use of geometric information on the spatial scale of the environment is not restricted to the human species. [source] An exploratory study of the effect of using high-mix biphasic insulin aspart in people with type 2 diabetesDIABETES OBESITY & METABOLISM, Issue 7 2009U. Dashora Objective:, To compare blood glucose control when using biphasic insulin aspart (BIAsp) three times a day (using 70/30 high-mix before breakfast and lunch), with biphasic human insulin (BHI, 30/70) twice daily in adults with type 2 diabetes already treated with insulin. Research design and methods:, In a 60-day, open-label, crossover study, people with insulin-treated type 2 diabetes [n = 38, baseline haemoglobin A1c 8.3 ± 0.9 (s.d.) %] were randomized to BIAsp three times a day before meals, as BIAsp 70 (70% insulin aspart and 30% protamine-complexed insulin aspart) before breakfast and lunch and BIAsp 30 (30/70 free and protamine-complexed insulin aspart) before dinner, or to human premix insulin (BHI) 30/70 twice a day before meals. A 24-h in-patient plasma glucose profile was performed at the end of each 30-day treatment period. The total daily insulin dose of BIAsp regimen was 110% of BHI and the doses were not changed during the study. Results:, There was no difference between BIAsp and BHI in geometric weighted average serum glucose over 24 h [7.3 vs. 7.7 mmol/l, BIAsp/BHI ratio 0.95 (95% CI 0.88,1.02), not significant (NS)], but daytime geometric weighted average glucose concentration was significantly lower with the BIAsp regimen than with BHI [8.3 vs. 9.2 mmol/l, BIAsp/BHI ratio 0.90 (0.84,0.98), p = 0.014]. The mealtime serum glucose excursion was also lower with BIAsp than with BHI with statistically significant differences at lunchtime [difference ,4.9 (,7.0 to ,2.7) mmol/l, p = 0.000); the difference in glucose excursions above 7.0 mmol/l was also significant [,5.8 (,8.3 to ,3.2) mmol/l, p = 0.000). The proportion of participants experiencing confirmed hypoglycaemic episodes was similar between regimens (42 vs. 43%, NS). Conclusions:, An insulin regimen using high-mix BIAsp (BIAsp 70) before breakfast and lunch and BIAsp 30 before dinner can achieve lower blood glucose levels during the day through reduced mealtime glucose excursions in particular at lunchtime than a twice-daily premix regimen. [source] Performance-based seismic analysis and design of suspension bridgesEARTHQUAKE ENGINEERING AND STRUCTURAL DYNAMICS, Issue 4-5 2005Serafim Arzoumanidis Abstract This paper presents a performance-based seismic analysis and design of a large suspension bridge, the new Tacoma Narrows Parallel Crossing in the State of Washington. The scope of the project included establishment of design criteria, extensive analysis and validation of the design. The analysis was performed using detailed three-dimensional models that included geometric and material non-linearity. The target post-earthquake level of service was verified using stress, deformation and ductility criteria. In the absence of well-established criteria, which relate the structural response of tower shafts to specific levels of performance, capacity analyses were performed to demonstrate that the design fulfills the performance objectives. The seismic analysis and design of this bridge was reviewed throughout the design process. An independent check team also performed separate analysis and validation of the design. Thus, this bridge constitutes an example of a large-scale design project where the performance-based seismic design procedures underwent rigorous assessment. This work demonstrated that the performance-based approach for seismic design is an appropriate way for designing earthquake-resistant structures. Further data that relate the structural response with the performance objectives are necessary. Copyright © 2005 John Wiley & Sons, Ltd. [source] Separation of cytokinin isomers with a partial filling-micellar electrokinetic chromatography-mass spectrometry approachELECTROPHORESIS, Issue 10 2008Liya Ge Abstract A new method based on partial filling-MEKC (PF-MEKC) directly coupled to ESI-MS was developed for the simultaneous separation and determination of 13 structurally similar cytokinins, including various geometric and positional isomers of cytokinins. On the basis of the resolution of the neighboring isomer peaks, different parameters (i.e., pH and concentration of buffer, surfactant concentrations, length of the injected micellar plug, organic modifier, and applied separation voltage) were optimized to achieve a satisfactory PF-MEKC separation. Under optimum conditions, the separation of 13 cytokinin standards was accomplished within 25,min. MS/MS with multiple reaction monitoring detection was carried out to obtain sufficient selectivity. PF-MEKC-MS/MS allowed for the direct identification and confirmation of the cytokinins present in banana (Musa spp.) pulp sample after extraction and purification. Finally, trans- zeatin riboside (ZR) and trans- zeatin (Z) were unambiguously identified in banana pulp. It is anticipated that the current PF-MEKC-MS method can be applied to analyze cytokinins in a wide range of biological samples. [source] Quill Embroidery: A Case Study in the Mechanics of Biological Materials,ADVANCED ENGINEERING MATERIALS, Issue 5 2010Ingrid M. Weiss In quill embroidery, leather goods are beautified with patterns stitched with stripes of the cortex of peacock feathers. Our new structural, geometric and mechanical data for the tail cover feathers of the peacock allow an understanding of the mechanisms of embroidery. This study serves as an example of how biological materials can be analyzed like engineering materials, giving insight into the optimization processes during evolution. [source] Alternative Mechanistic Paths in the Hetero-Diels,Alder Reaction of ,-Oxothiones: A Theoretical StudyEUROPEAN JOURNAL OF ORGANIC CHEMISTRY, Issue 21 2007Laura Legnani Abstract DFT calculations at the B3LYP/6-311+G(d,p) level for the C, H, and O atoms and at the 6-311+G(2df,p) level for the S atom were used to study the hetero-Diels,Alder reactions between several ,-oxothiones and ethylene or methyl vinyl ether (MVE). All the transition states and the intermediates along the reaction pathways, as well as the reaction products, were located. The reactions with ethylene are all concerted though asynchronous whereas in the reactions with MVE the electron-releasing character of the methoxy substituent lowers the energy barriers and enhances the asynchronicity and the charge transfer process to such an extent that the reaction may become unconcerted and exhibit a two-step mechanism with a zwitterionic intermediate derived from nucleophilic attack of electron-rich MVE to the sulfur atom of the strongly electrophilically activated ,-oxothiones. The reactions are also favored by the conjugation of the newly formed C=C bond. Moreover, the geometric features of the diene exert a nonnegligible role, as dienes that are planar or almost planar in their ground state show a lower energy barrier. Thus, both geometric and electronic features of the dienes as well as of the dienophiles play a significant role in the easiness of the reactions and in their mechanism. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007) [source] Electric/magnetic deformations of S3 and AdS3, and geometric cosets,FORTSCHRITTE DER PHYSIK/PROGRESS OF PHYSICS, Issue 1 2005D. Israël We analyze asymmetric marginal deformations of SU(2)k and SL(2,,)k WZW models. These appear in heterotic string backgrounds with non-vanishing Neveu,Schwarz three-forms plus electric or magnetic fields, depending on whether the deformation is elliptic, hyperbolic or parabolic. Asymmetric deformations create new families of exact string vacua. The geometries which are generated in this way, deformed S3 or AdS3, include in particular geometric cosets such as S2, AdS2 or H2. Hence, the latter are consistent, exact conformal sigma models, with electric or magnetic backgrounds. We discuss various geometric and symmetry properties of the deformations at hand as well as their spectra and partition functions, with special attention to the supersymmetric AdS2 × S2 background. We also comment on potential holographic applications. [source] A geometric and kinematic model for double-edge propagating thrusts involving hangingwall and footwall folding.GEOLOGICAL JOURNAL, Issue 5-6 2010An example from the Jaca, Pamplona Basin (Southern Pyrenees) Abstract A new geometric and kinematic model is proposed for a particular type of fault-related folding based on the study of a natural example developed in Palaeogene carbonate rocks from the Jaca,Pamplona Basin (Southern Pyrenees). The example consists of a hangingwall anticline related to a reverse fault with variable displacement and a gentle footwall syncline. A detailed structural analysis of the structure and a cross-section, perpendicular to its axis and parallel to the transport direction, reveals that none of the previous published models of fault-related folds is able to simulate its main characteristics and reproduce its geometry. The main features of the new model are: double-edge propagating fault and folding developed in both the hangingwall and the footwall. A MATLAB-based program was created to calculate structural parameters such as shortening, structural relief and fault slip; obtain graphs of different parameters such as shortening versus slip along the fault, shortening versus fault length, and produce sections across forward models showing the different stages of fold growth. The model presented here gives an acceptable geometrical fit to the studied natural structure and provides a reasonable evolutionary history. In addition, the results obtained using the model are similar to those measured on the cross-section. As a final step the subsurface portion of the natural fold was completed following the constraints imposed by the model. Copyright © 2010 John Wiley & Sons, Ltd. [source] Reversibly Light-Switchable Wettability of Hybrid Organic/Inorganic Surfaces With Dual Micro-/Nanoscale RoughnessADVANCED FUNCTIONAL MATERIALS, Issue 8 2009Gianvito Caputo Abstract Here, an approach to realize "smart" solid substrates that can convert their wetting behavior between extreme states under selective light irradiation conditions is described. Hybrid organic/inorganic surfaces are engineered by exploiting photolithographically tailored SU-8 polymer patterns as templates for accommodating closely packed arrays of colloidal anatase TiO2 nanorods, which are able to respond to UV light by reversibly changing their surface chemistry. The TiO2 -covered SU-8 substrates are characterized by a dual micro-/nanoscale roughness, arising from the overlapping of surfactant-capped inorganic nanorods onto micrometer-sized polymer pillars. Such combined architectural and chemical surface design enables the achievement of UV-driven reversible transitions from a highly hydrophobic to a highly hydrophilic condition, with excursions in water contact angle values larger than 100°. The influence of the geometric and compositional parameters of the hybrid surfaces on their wettability behavior is examined and discussed within the frame of the available theoretical models. [source] Anisotropic Optical Properties of Semitransparent Coatings of Gold Nanocaps,ADVANCED FUNCTIONAL MATERIALS, Issue 11 2006J. Liu Abstract An ordered array of cap-shaped gold nanoparticles has been prepared by vapor deposition onto polystyrene nanospheres supported on a glass substrate. The method of fabrication used imparts a significant anisotropy to the geometric and optical properties of the coating. The optical-absorption properties of these deposits have been measured using UV-vis spectrometry and simulated using a code based on the discrete dipole approximation. Because the nanocaps are not interconnected, they interact with incident light as individual particles with a plasmon resonance that depends upon wavelength and the polarization vector of the light. The resulting extinction peaks manifest in the upper visible and near-infrared regions of the electromagnetic spectrum. Surprisingly, varying the angle of incidence of the light (for a fixed polarization) has no effect on the optical properties of individual nanocaps. Calculations show that these phenomena may be readily interpreted in terms of dipole resonances excited across the longitudinal, transverse, and short-transverse directions of the nanocaps. Coatings comprised of arrays of these particles have the potential to serve as angularly and spectrally selective filters. [source] Structure and bonding in some S -methylsulfonium halidesHETEROATOM CHEMISTRY, Issue 4 2005D. B. Chesnut Density functional theory (DFT) calculations have been carried out at the B3LYP 6-311+G(d,p) level to characterize the geometric and electronic characteristics of a series of S-methylsulfonium halides that possess unusual molecular structures. Atoms-in-molecules (AIM), electron localization function (ELF), and NMR data support the idea that the binding in these gas phase species is predominately ionic with some small degree of covalent bonding. © 2005 Wiley Periodicals, Inc. 16:263,270, 2005; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20087 [source] Electron Energy Loss SpectroscopyIMAGING & MICROSCOPY (ELECTRONIC), Issue 2 2007Chemical Information at the Nanometer Scale Abstract The combination of high resolution imaging with energy loss spectroscopy allows to resolve questions about the morphology, structure, composition and electronic structure of a material in a single instrument. By the assistance of band structure calculations and simulated EELS spectra, the experimental data can be analyzed in detail. Following this approach it is possible to study the relation between the geometric and electronic structure of materials at the nanometer scale. [source] Analytical formulas for the geometric and inertia quantities of the largest removable blocks around tunnelsINTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS, Issue 11 2007Fulvio Tonon Abstract This paper presents algorithms for determining the vertices of the maximum removable block (MB) created by a joint pyramid (JP) around a tunnel when discontinuities are fully persistent. It is shown that an MB cannot be formed by more than 4 discontinuities and this drastically limits the proliferation of rock blocks that need to be analysed. The non-convex block obtained after the MB is tunnelled through (real maximum block, RMB) is partitioned into a set of tetrahedra, and procedures are given for determining the vertices of these tetrahedra. Geometric and inertia quantities needed for stability analysis and support/reinforcement design are determined as functions of the calculated vertices' co-ordinates. These quantities are: RMB's volume, face areas, perimeter of the excavated surface, centroid and inertia tensor. The algorithms for their calculation are at least two times faster than other algorithms previously proposed in other applications. It is shown that the formulations presented by Goodman and Shi for translational analysis and by Tonon for rotatability analysis can be used to analyse the RMBs using the geometric quantities presented. A numerical example is presented among those used to verify these analytical procedures and their implementation. Copyright © 2006 John Wiley & Sons, Ltd. [source] A new triangular layered plate element for the non-linear analysis of reinforced concrete slabsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN BIOMEDICAL ENGINEERING, Issue 7 2006Y. X. Zhang Abstract A new 3-node, 18-DOF triangular layered plate element is developed in this paper for the geometric and material non-linear analysis of isotropic plates and reinforced concrete slabs under service loads. The proposed model is a combination of Allman's 3-node, 9-DOF triangular membrane element with drilling degrees of freedom and the refined non-conforming 3-node, 9-DOF triangular plate-bending element RT9 in order to account for the coupling effects between membrane and bending actions. The element is modelled as a layered system of concrete and equivalent smeared steel reinforcement layers, and perfect bond is assumed between the concrete layers and the smeared steel layers. The maximum normal stress criterion is employed to detect cracking of the concrete, and a smeared fixed crack model is assumed. Both geometric non-linearity with large displacements but moderate rotations and material non-linearity, which incorporates tension, compression, concrete cracking and tension stiffening, are included in the model. An updated Lagrangian approach is employed as a solution strategy for the non-linear finite element analysis and a numerical example of reinforced concrete slab is given to demonstrate the efficacy of this robust element. Copyright © 2005 John Wiley & Sons, Ltd. [source] On the calculation of normals in free-surface flow problemsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN BIOMEDICAL ENGINEERING, Issue 5 2004M. A. Walkley Abstract The use of boundary-conforming finite element methods is considered for the solution of surface-tension-dominated free-surface flow problems in three dimensions. This class of method is based upon the use of a moving mesh whose velocity is driven by the motion of the free surface, which is in turn determined via a kinematic boundary condition for the normal velocity. The significance of the method used to compute the normal direction at the finite element node points for a C0 piecewise-polynomial free surface is investigated. In particular, it is demonstrated that the concept of mass-consistent normals on an isoparametric quadratic tetrahedral mesh is flawed. In this case an alternative, purely geometric, normal is shown to lead to a far more robust numerical algorithm. Copyright © 2004 John Wiley & Sons, Ltd. [source] Design of a composite beam using the failure probability-safety factor methodINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, Issue 9 2005E. Castillo Abstract The paper shows the practical importance of the failure probability-safety factor method for designing engineering works. The method provides an automatic design tool by optimizing an objective function subject to the standard geometric and code constraints, and two more sets of constraints, that guarantee some given safety factors and failure probability bounds, associated with a given set of failure modes. Since a direct solution of the optimization problem is not possible, the method proceeds as a sequence of three steps: (a) an optimal classical design, based on given safety factors, is done, (b) failure probabilities or bounds of all failure modes are calculated, and (c) safety factors bounds are adjusted. This implies a double safety check that leads to safer structures and designs less prone to wrong or unrealistic probability assumptions, and to excessively small (unsafe) or large (costly) safety factors. Finally, the actual global or combined probabilities of the different failure modes and their correlation are calculated using a Monte Carlo simulation. In addition, a sensitivity analysis is performed. To this end, the optimization problems are transformed into another equivalent ones, in which the data parameters are converted into artificial variables. In this way, some variables of the dual associated problems become the desired sensitivities. The method is illustrated by its application to the design of a composite beam. Copyright 2004 © John Wiley & Sons, Ltd. [source] | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||